butyl 4-[(5-nitrofuran-2-yl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: butyl 4-[(5-nitrofuran-2-yl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: butyl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 2-hydroxy-4-[[[[(5-nitro-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-hydroxy-4-[(5-nitro-2-furoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)[N+](=O)[O-])O

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O7S/c1-2-3-8-26-16(23)11-5-4-10(9-12(11)21)18-17(28)19-15(22)13-6-7-14(27-13)20(24)25/h4-7,9,21H,2-3,8H2,1H3,(H2,18,19,22,28)